SCHEMBL4672387

SCHEMBL4672387

CNCc1ccc2c(Br)c(OC)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.50
NCEH1 Q6PIU2 4/20 0.46
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR1E P28566 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
HTR6 P50406 1/20 0.43
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4673035 0.83 NCEH1 (0.45) NCEH1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL4670370 0.83 MEN1 (0.49) NCEH1CYP19A1CYP11B1CYP11B2HTR2A
SCHEMBL4670151 0.83 NCEH1 (0.43) HTR7NCEH1CYP19A1SMN1; SMN2RXFP1
SCHEMBL9007497 0.83 CYP19A1 (0.49) NCEH1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL4670271 0.81 CYP19A1 (0.48) NCEH1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL9007503 0.81 NCEH1 (0.48) NCEH1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL8557620 0.79 NCEH1 (0.52) NCEH1CYP19A1CYP11B1CYP11B2POLB
SCHEMBL4670212 0.78 ESR1 (0.49) NCEH1CYP19A1MAPTPOLBSMN1; SMN2
SCHEMBL5940467 0.77 MAPT (0.64) HTR7HTR1AHTR1DHTR1BHTR2A
SCHEMBL11745958 0.77 GAA (0.61) NCEH1CYP19A1CYP11B1CYP11B2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 HTR7 370/4885NCEH1 86/4885CYP19A1 1013/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.